CID 82603759

En300-1732186

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1=C2N=CC(=CN2N=C1)CCC(=O)O
InChI
InChI=1S/C9H9N3O2/c13-9(14)2-1-7-5-10-8-3-4-11-12(8)6-7/h3-6H,1-2H2,(H,13,14)
InChIKey
DKTLDKJFPUGPPY-UHFFFAOYSA-N
Compound name
3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 138.4
[M+Na]+ 214.05869 148.6
[M-H]- 190.06219 138.2
[M+NH4]+ 209.10329 156.1
[M+K]+ 230.03263 145.5
[M+H-H2O]+ 174.06673 130.7
[M+HCOO]- 236.06767 159.2
[M+CH3COO]- 250.08332 179.3
[M+Na-2H]- 212.04414 145.7
[M]+ 191.06892 140.8
[M]- 191.07002 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.